Molecule Details
| InChIKey | PPMRXEMNCQTEFU-RPZSHQLJSA-N |
|---|---|
| Compound Name | H-Ala-Gly-Cys(1)-Lys-Asn-Phe-Phe-D-2Nal-Lys-Thr-Phe-Thr-Ser-Cys(1)-OH |
| Canonical SMILES | C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.55 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P32745 | SSTR3 | Homo sapiens | Human | PF00001 | 9.0 | IC50 | ChEMBL;BindingDB |
| P30874 | SSTR2 | Homo sapiens | Human | PF00001 | 8.8 | IC50 | ChEMBL;BindingDB |
| P35346 | SSTR5 | Homo sapiens | Human | PF00001 | 8.6 | IC50 | ChEMBL;BindingDB |
| P30872 | SSTR1 | Homo sapiens | Human | PF00001 | 8.4 | IC50 | ChEMBL;BindingDB |
| P31391 | SSTR4 | Homo sapiens | Human | PF00001 | 7.9 | IC50 | ChEMBL;BindingDB |